Structure of PDB 8swu Chain A Binding Site BS01

Receptor Information
>8swu Chain A (length=269) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMDLSNKIKAAAEYIKGKSKYNPTIGLILGSGLGAIADQIEDAEYFPYNE
IPNFPVSTAGRLVIGKFQGKEVVAMQGRFHYYEGYSMQEVTCPVRVMRLL
GVETLVVTNAAGAVNKDYTPGDLMIISDHLNLSGSNPLIGKNLNEFGTRF
PDMSNAYDKDLRAQVKDIAKNLGIEVREGVYAMFSGPTYETPAEVRMARI
LGADAVGMSTVPEVIIANHSGMKVIGVSCMTNMAAGILEQPLNHEEVMET
SAKVRKTFIELMTNIIKEI
Ligand information
Ligand IDIMH
InChIInChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
InChIKeyIWKXDMQDITUYRK-KUBHLMPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(c2c([nH]1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O
CACTVS 3.385OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c2c[nH]c3C(=O)NC=Nc23
ACDLabs 12.01OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O
OpenEye OEToolkits 2.0.7c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O
CACTVS 3.385OC[CH]1N[CH]([CH](O)[CH]1O)c2c[nH]c3C(=O)NC=Nc23
FormulaC11 H14 N4 O4
Name1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL;
Forodesine;
Immucillin H
ChEMBLCHEMBL218291
DrugBankDB06185
ZINCZINC000013492899
PDB chain8swu Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8swu Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		Y85 A113 A114 G115 Y192 E193 M211 N235 H247 V250
Binding residue
(residue number reindexed from 1)		Y82 A110 A111 G112 Y189 E190 M208 N232 H244 V247
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.1: purine-nucleoside phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004731 purine-nucleoside phosphorylase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009116 nucleoside metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8swu, PDBe:8swu, PDBj:8swu
PDBsum8swu
PubMed37812583
UniProtA0A0H2YR30

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